ethyl 4-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-hydroxy-2-(4-nitrophenyl)ethyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H19N3O5S/c1-2-26-17(23)13-3-7-14(8-4-13)20-18(27)19-11-16(22)12-5-9-15(10-6-12)21(24)25/h3-10,16,22H,2,11H2,1H3,(H2,19,20,27)